2-[[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[[2-(4-hydroxy-3-methoxy-phenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(homovanillylamino)methyl]-N-(4-phenylbutyl)benzamide Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNCC2=CC=CC=C2C(=O)NCCCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCNCC2=CC=CC=C2C(=O)NCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C27H32N2O3/c1-32-26-19-22(14-15-25(26)30)16-18-28-20-23-12-5-6-13-24(23)27(31)29-17-8-7-11-21-9-3-2-4-10-21/h2-6,9-10,12-15,19,28,30H,7-8,11,16-18,20H2,1H3,(H,29,31)